SCHEMBL20224331

SCHEMBL20224331

c1ccc(-n2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4sc4ccccc43)nc3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
PTGER4 P35408 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31
PTGS2 P35354 1/20 0.31
ATR Q13535 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPK10 P53779 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20224329 0.92 SIRT2 (0.33) ESR1ESR2PTGER4
SCHEMBL19862186 0.90 RECQL (0.33) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL20371297 0.89 RECQL (0.36) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL20224516 0.88 RECQL (0.35) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL20224450 0.86 RECQL (0.38) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL20224391 0.86 RECQL (0.38) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL20174673 0.86 RECQL (0.39) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL12568015 0.85 ALOX5 (0.37) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL20225181 0.85 RECQL (0.39) RECQLESR1ESR2PTGER4HDAC1
SCHEMBL12349070 0.84 ALOX5 (0.40) RECQLESR1ESR2PTGER4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed